USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 178:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot 74:sc= 0.928 USER MOD Set 2.1: A 71 ASN : amide:sc= -4.77! C(o=-5.8!,f=-12!) USER MOD Set 2.2: A 90 SER OG : rot -25:sc= -1 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.77 K(o=-0.77,f=-0.21) USER MOD Single : A 21 SER OG : rot -10:sc= -0.371 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 70:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.127) USER MOD Single : A 33 ASN : amide:sc= -0.722 X(o=-0.72,f=-0.42) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0666 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.274 K(o=0.27,f=-5.6!) USER MOD Single : A 39 HIS : no HD1:sc= 0.291 K(o=0.29,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 15:sc= 1.22 USER MOD Single : A 51 ASN : amide:sc= 0.757 K(o=0.76,f=-0.87) USER MOD Single : A 56 SER OG : rot -90:sc= -2.42 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.3!) USER MOD Single : A 66 GLN : amide:sc= -1.86! X(o=-1.9!,f=-1.6) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -5.07! C(o=-5.1!,f=-7.1!) USER MOD Single : A 81 GLN : amide:sc= -3.06! C(o=-3.1!,f=-6.3!) USER MOD Single : A 84 MET CE :methyl -145:sc= -5.45! (180deg=-8.33!) USER MOD Single : A 91 MET CE :methyl 178:sc= -7.54! (180deg=-7.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.05! K(o=-2.1!,f=-0.86) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -170:sc= -2.52 (180deg=-3.15) USER MOD Single : A 102 GLN : amide:sc= -8.3! C(o=-8.3!,f=-18!) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -3.913 -3.740 -7.663 1.00 0.00 N ATOM 47 CA GLU A 10 -4.084 -2.479 -8.374 1.00 0.00 C ATOM 48 C GLU A 10 -2.864 -1.582 -8.201 1.00 0.00 C ATOM 49 O GLU A 10 -2.488 -1.236 -7.081 1.00 0.00 O ATOM 50 CB GLU A 10 -5.338 -1.755 -7.880 1.00 0.00 C ATOM 51 CG GLU A 10 -5.415 -1.631 -6.368 1.00 0.00 C ATOM 52 CD GLU A 10 -6.670 -0.917 -5.904 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.639 -0.851 -6.689 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.684 -0.425 -4.757 1.00 0.00 O ATOM 0 HA GLU A 10 -4.197 -2.705 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.368 -0.758 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.219 -2.288 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.382 -2.626 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.540 -1.091 -6.006 1.00 0.00 H new ATOM 61 N PHE A 11 -2.250 -1.205 -9.319 1.00 0.00 N ATOM 62 CA PHE A 11 -1.073 -0.344 -9.294 1.00 0.00 C ATOM 63 C PHE A 11 -1.475 1.109 -9.071 1.00 0.00 C ATOM 64 O PHE A 11 -2.433 1.596 -9.672 1.00 0.00 O ATOM 65 CB PHE A 11 -0.292 -0.475 -10.602 1.00 0.00 C ATOM 66 CG PHE A 11 0.150 -1.879 -10.900 1.00 0.00 C ATOM 67 CD1 PHE A 11 -0.728 -2.788 -11.473 1.00 0.00 C ATOM 68 CD2 PHE A 11 1.440 -2.291 -10.610 1.00 0.00 C ATOM 69 CE1 PHE A 11 -0.325 -4.081 -11.747 1.00 0.00 C ATOM 70 CE2 PHE A 11 1.849 -3.583 -10.883 1.00 0.00 C ATOM 71 CZ PHE A 11 0.964 -4.479 -11.453 1.00 0.00 C ATOM 0 H PHE A 11 -2.549 -1.483 -10.254 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.436 -0.660 -8.468 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.912 -0.116 -11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.585 0.171 -10.558 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.737 -2.482 -11.707 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.135 -1.594 -10.165 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.018 -4.780 -12.191 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.858 -3.892 -10.651 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.280 -5.489 -11.668 1.00 0.00 H new ATOM 81 N LEU A 12 -0.745 1.796 -8.200 1.00 0.00 N ATOM 82 CA LEU A 12 -1.034 3.193 -7.897 1.00 0.00 C ATOM 83 C LEU A 12 0.225 4.051 -7.985 1.00 0.00 C ATOM 84 O LEU A 12 1.129 3.933 -7.159 1.00 0.00 O ATOM 85 CB LEU A 12 -1.653 3.319 -6.501 1.00 0.00 C ATOM 86 CG LEU A 12 -2.532 2.139 -6.065 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.940 1.447 -4.847 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.951 2.607 -5.778 1.00 0.00 C ATOM 0 H LEU A 12 0.050 1.409 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.746 3.553 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.849 3.440 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.252 4.229 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.566 1.419 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.579 0.614 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.945 1.074 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.871 2.157 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.559 1.757 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.935 3.349 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.377 3.051 -6.678 1.00 0.00 H new ATOM 100 N THR A 13 0.269 4.916 -8.991 1.00 0.00 N ATOM 101 CA THR A 13 1.407 5.805 -9.193 1.00 0.00 C ATOM 102 C THR A 13 1.094 7.198 -8.655 1.00 0.00 C ATOM 103 O THR A 13 0.028 7.750 -8.927 1.00 0.00 O ATOM 104 CB THR A 13 1.758 5.881 -10.679 1.00 0.00 C ATOM 105 OG1 THR A 13 2.122 4.605 -11.174 1.00 0.00 O ATOM 106 CG2 THR A 13 2.896 6.830 -10.979 1.00 0.00 C ATOM 0 H THR A 13 -0.473 5.021 -9.682 1.00 0.00 H new ATOM 0 HA THR A 13 2.263 5.405 -8.649 1.00 0.00 H new ATOM 0 HB THR A 13 0.858 6.254 -11.168 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.341 4.674 -12.127 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.092 6.835 -12.051 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.627 7.835 -10.655 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.791 6.505 -10.448 1.00 0.00 H new ATOM 114 N PHE A 14 2.017 7.759 -7.879 1.00 0.00 N ATOM 115 CA PHE A 14 1.812 9.081 -7.297 1.00 0.00 C ATOM 116 C PHE A 14 3.088 9.919 -7.305 1.00 0.00 C ATOM 117 O PHE A 14 4.171 9.432 -7.627 1.00 0.00 O ATOM 118 CB PHE A 14 1.293 8.948 -5.865 1.00 0.00 C ATOM 119 CG PHE A 14 0.047 8.117 -5.751 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.070 8.415 -6.515 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.005 7.040 -4.883 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.218 7.651 -6.414 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.150 6.272 -4.778 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.258 6.580 -5.544 1.00 0.00 C ATOM 0 H PHE A 14 2.907 7.323 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 14 1.075 9.595 -7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.073 8.506 -5.245 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.094 9.943 -5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.044 9.253 -7.196 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.858 6.797 -4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.082 7.892 -7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.178 5.433 -4.099 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.154 5.983 -5.462 1.00 0.00 H new ATOM 134 N GLU A 15 2.937 11.186 -6.933 1.00 0.00 N ATOM 135 CA GLU A 15 4.054 12.126 -6.868 1.00 0.00 C ATOM 136 C GLU A 15 4.031 12.843 -5.522 1.00 0.00 C ATOM 137 O GLU A 15 3.118 13.618 -5.239 1.00 0.00 O ATOM 138 CB GLU A 15 3.971 13.140 -8.015 1.00 0.00 C ATOM 139 CG GLU A 15 3.154 12.661 -9.207 1.00 0.00 C ATOM 140 CD GLU A 15 1.716 13.137 -9.158 1.00 0.00 C ATOM 141 OE1 GLU A 15 0.922 12.549 -8.394 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.383 14.097 -9.884 1.00 0.00 O ATOM 0 H GLU A 15 2.039 11.591 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 15 4.991 11.578 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.536 14.065 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.981 13.377 -8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.619 13.015 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.171 11.572 -9.240 1.00 0.00 H new ATOM 149 N VAL A 16 5.016 12.551 -4.678 1.00 0.00 N ATOM 150 CA VAL A 16 5.074 13.144 -3.346 1.00 0.00 C ATOM 151 C VAL A 16 6.112 14.261 -3.236 1.00 0.00 C ATOM 152 O VAL A 16 7.312 14.018 -3.369 1.00 0.00 O ATOM 153 CB VAL A 16 5.395 12.074 -2.286 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.286 12.655 -0.886 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.478 10.871 -2.447 1.00 0.00 C ATOM 0 H VAL A 16 5.781 11.911 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 16 4.089 13.575 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 16 6.422 11.741 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.517 11.882 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.991 13.480 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.272 13.020 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.720 10.125 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.441 11.186 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.615 10.439 -3.438 1.00 0.00 H new ATOM 165 N PRO A 17 5.664 15.501 -2.955 1.00 0.00 N ATOM 166 CA PRO A 17 6.555 16.642 -2.789 1.00 0.00 C ATOM 167 C PRO A 17 7.046 16.744 -1.348 1.00 0.00 C ATOM 168 O PRO A 17 6.243 16.719 -0.415 1.00 0.00 O ATOM 169 CB PRO A 17 5.650 17.818 -3.138 1.00 0.00 C ATOM 170 CG PRO A 17 4.297 17.396 -2.669 1.00 0.00 C ATOM 171 CD PRO A 17 4.255 15.886 -2.749 1.00 0.00 C ATOM 0 HA PRO A 17 7.455 16.586 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.976 18.732 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.655 18.019 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.120 17.734 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.518 17.837 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.851 15.449 -1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.624 15.547 -3.571 1.00 0.00 H new ATOM 179 N LEU A 18 8.358 16.838 -1.161 1.00 0.00 N ATOM 180 CA LEU A 18 8.924 16.916 0.183 1.00 0.00 C ATOM 181 C LEU A 18 9.766 18.168 0.376 1.00 0.00 C ATOM 182 O LEU A 18 10.698 18.180 1.180 1.00 0.00 O ATOM 183 CB LEU A 18 9.776 15.688 0.450 1.00 0.00 C ATOM 184 CG LEU A 18 10.806 15.421 -0.634 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.125 14.974 -0.024 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.284 14.386 -1.618 1.00 0.00 C ATOM 0 H LEU A 18 9.045 16.862 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 18 8.094 16.961 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.288 15.810 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.126 14.818 0.546 1.00 0.00 H new ATOM 0 HG LEU A 18 10.985 16.349 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.849 14.788 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.503 15.754 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.970 14.059 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.034 14.206 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.075 13.455 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.369 14.754 -2.081 1.00 0.00 H new ATOM 198 N ASN A 19 9.423 19.219 -0.353 1.00 0.00 N ATOM 199 CA ASN A 19 10.133 20.499 -0.261 1.00 0.00 C ATOM 200 C ASN A 19 10.530 20.812 1.182 1.00 0.00 C ATOM 201 O ASN A 19 11.559 21.440 1.434 1.00 0.00 O ATOM 202 CB ASN A 19 9.263 21.638 -0.808 1.00 0.00 C ATOM 203 CG ASN A 19 7.776 21.323 -0.767 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.128 21.204 -1.806 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.229 21.186 0.437 1.00 0.00 N ATOM 0 H ASN A 19 8.652 19.216 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 19 11.039 20.414 -0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.453 22.542 -0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.556 21.849 -1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.235 20.974 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.803 21.293 1.273 1.00 0.00 H new ATOM 212 N ASP A 20 9.706 20.361 2.121 1.00 0.00 N ATOM 213 CA ASP A 20 9.960 20.574 3.540 1.00 0.00 C ATOM 214 C ASP A 20 10.281 19.252 4.218 1.00 0.00 C ATOM 215 O ASP A 20 11.063 19.197 5.168 1.00 0.00 O ATOM 216 CB ASP A 20 8.745 21.213 4.212 1.00 0.00 C ATOM 217 CG ASP A 20 8.393 22.562 3.615 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.166 23.522 3.822 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.346 22.659 2.940 1.00 0.00 O ATOM 0 H ASP A 20 8.851 19.842 1.922 1.00 0.00 H new ATOM 0 HA ASP A 20 10.812 21.246 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.889 20.544 4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.944 21.331 5.277 1.00 0.00 H new ATOM 224 N SER A 21 9.668 18.185 3.717 1.00 0.00 N ATOM 225 CA SER A 21 9.879 16.853 4.258 1.00 0.00 C ATOM 226 C SER A 21 11.269 16.325 3.907 1.00 0.00 C ATOM 227 O SER A 21 11.661 15.251 4.363 1.00 0.00 O ATOM 228 CB SER A 21 8.806 15.901 3.730 1.00 0.00 C ATOM 229 OG SER A 21 9.108 14.557 4.060 1.00 0.00 O ATOM 0 H SER A 21 9.018 18.221 2.932 1.00 0.00 H new ATOM 0 HA SER A 21 9.807 16.912 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.837 16.172 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.725 16.003 2.648 1.00 0.00 H new ATOM 0 HG SER A 21 10.021 14.504 4.412 1.00 0.00 H new ATOM 235 N GLY A 22 12.016 17.081 3.096 1.00 0.00 N ATOM 236 CA GLY A 22 13.354 16.662 2.709 1.00 0.00 C ATOM 237 C GLY A 22 14.163 16.130 3.878 1.00 0.00 C ATOM 238 O GLY A 22 15.028 15.272 3.704 1.00 0.00 O ATOM 0 H GLY A 22 11.717 17.973 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.281 15.891 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.880 17.506 2.263 1.00 0.00 H new ATOM 242 N SER A 23 13.872 16.635 5.074 1.00 0.00 N ATOM 243 CA SER A 23 14.569 16.200 6.276 1.00 0.00 C ATOM 244 C SER A 23 13.923 14.941 6.847 1.00 0.00 C ATOM 245 O SER A 23 14.603 14.067 7.382 1.00 0.00 O ATOM 246 CB SER A 23 14.564 17.313 7.327 1.00 0.00 C ATOM 247 OG SER A 23 14.648 18.589 6.718 1.00 0.00 O ATOM 0 H SER A 23 13.158 17.346 5.234 1.00 0.00 H new ATOM 0 HA SER A 23 15.600 15.971 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.654 17.250 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.403 17.176 8.010 1.00 0.00 H new ATOM 0 HG SER A 23 14.641 19.283 7.410 1.00 0.00 H new ATOM 253 N ALA A 24 12.601 14.857 6.723 1.00 0.00 N ATOM 254 CA ALA A 24 11.855 13.707 7.217 1.00 0.00 C ATOM 255 C ALA A 24 11.814 12.582 6.183 1.00 0.00 C ATOM 256 O ALA A 24 11.141 11.570 6.386 1.00 0.00 O ATOM 257 CB ALA A 24 10.438 14.123 7.595 1.00 0.00 C ATOM 0 H ALA A 24 12.025 15.574 6.283 1.00 0.00 H new ATOM 0 HA ALA A 24 12.368 13.331 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.890 13.256 7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.478 14.884 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.931 14.527 6.719 1.00 0.00 H new ATOM 263 N GLY A 25 12.526 12.762 5.073 1.00 0.00 N ATOM 264 CA GLY A 25 12.542 11.753 4.031 1.00 0.00 C ATOM 265 C GLY A 25 11.354 11.882 3.099 1.00 0.00 C ATOM 266 O GLY A 25 11.516 12.025 1.887 1.00 0.00 O ATOM 0 H GLY A 25 13.091 13.588 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.465 11.839 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.541 10.762 4.485 1.00 0.00 H new ATOM 270 N LEU A 26 10.156 11.840 3.671 1.00 0.00 N ATOM 271 CA LEU A 26 8.929 11.963 2.897 1.00 0.00 C ATOM 272 C LEU A 26 7.712 12.003 3.813 1.00 0.00 C ATOM 273 O LEU A 26 6.756 12.728 3.552 1.00 0.00 O ATOM 274 CB LEU A 26 8.801 10.812 1.898 1.00 0.00 C ATOM 275 CG LEU A 26 8.075 11.166 0.596 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.663 12.429 -0.021 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.151 10.007 -0.385 1.00 0.00 C ATOM 0 H LEU A 26 10.009 11.721 4.673 1.00 0.00 H new ATOM 0 HA LEU A 26 8.975 12.900 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.800 10.450 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.273 9.989 2.380 1.00 0.00 H new ATOM 0 HG LEU A 26 7.027 11.356 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.134 12.663 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.557 13.259 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.719 12.270 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.631 10.274 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.195 9.788 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.682 9.127 0.055 1.00 0.00 H new ATOM 289 N GLY A 27 7.756 11.232 4.896 1.00 0.00 N ATOM 290 CA GLY A 27 6.649 11.220 5.836 1.00 0.00 C ATOM 291 C GLY A 27 5.916 9.892 5.893 1.00 0.00 C ATOM 292 O GLY A 27 4.685 9.865 5.893 1.00 0.00 O ATOM 0 H GLY A 27 8.534 10.619 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.025 11.461 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.943 12.004 5.563 1.00 0.00 H new ATOM 296 N VAL A 28 6.660 8.790 5.955 1.00 0.00 N ATOM 297 CA VAL A 28 6.038 7.470 6.027 1.00 0.00 C ATOM 298 C VAL A 28 6.969 6.430 6.634 1.00 0.00 C ATOM 299 O VAL A 28 8.192 6.566 6.590 1.00 0.00 O ATOM 300 CB VAL A 28 5.594 6.969 4.637 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.632 7.949 3.996 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.797 6.729 3.736 1.00 0.00 C ATOM 0 H VAL A 28 7.680 8.783 5.957 1.00 0.00 H new ATOM 0 HA VAL A 28 5.165 7.592 6.669 1.00 0.00 H new ATOM 0 HB VAL A 28 5.076 6.019 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.332 7.576 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.751 8.060 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.121 8.917 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.458 6.376 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.350 7.660 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.446 5.979 4.188 1.00 0.00 H new ATOM 312 N SER A 29 6.372 5.375 7.173 1.00 0.00 N ATOM 313 CA SER A 29 7.121 4.280 7.766 1.00 0.00 C ATOM 314 C SER A 29 6.864 3.010 6.966 1.00 0.00 C ATOM 315 O SER A 29 5.735 2.524 6.909 1.00 0.00 O ATOM 316 CB SER A 29 6.718 4.082 9.229 1.00 0.00 C ATOM 317 OG SER A 29 5.954 5.177 9.704 1.00 0.00 O ATOM 0 H SER A 29 5.360 5.256 7.210 1.00 0.00 H new ATOM 0 HA SER A 29 8.185 4.516 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.141 3.163 9.329 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.612 3.966 9.842 1.00 0.00 H new ATOM 0 HG SER A 29 5.072 5.170 9.277 1.00 0.00 H new ATOM 323 N VAL A 30 7.905 2.495 6.322 1.00 0.00 N ATOM 324 CA VAL A 30 7.770 1.296 5.501 1.00 0.00 C ATOM 325 C VAL A 30 8.444 0.088 6.140 1.00 0.00 C ATOM 326 O VAL A 30 9.471 0.211 6.807 1.00 0.00 O ATOM 327 CB VAL A 30 8.353 1.503 4.085 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.261 1.933 3.117 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.484 2.522 4.103 1.00 0.00 C ATOM 0 H VAL A 30 8.847 2.886 6.351 1.00 0.00 H new ATOM 0 HA VAL A 30 6.700 1.105 5.424 1.00 0.00 H new ATOM 0 HB VAL A 30 8.763 0.552 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.689 2.074 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.490 1.164 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.820 2.870 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.876 2.648 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.107 3.477 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.280 2.171 4.760 1.00 0.00 H new ATOM 339 N LYS A 31 7.854 -1.082 5.918 1.00 0.00 N ATOM 340 CA LYS A 31 8.383 -2.330 6.455 1.00 0.00 C ATOM 341 C LYS A 31 8.160 -3.468 5.466 1.00 0.00 C ATOM 342 O LYS A 31 7.057 -3.645 4.949 1.00 0.00 O ATOM 343 CB LYS A 31 7.718 -2.662 7.791 1.00 0.00 C ATOM 344 CG LYS A 31 6.199 -2.583 7.753 1.00 0.00 C ATOM 345 CD LYS A 31 5.571 -3.957 7.578 1.00 0.00 C ATOM 346 CE LYS A 31 5.861 -4.861 8.764 1.00 0.00 C ATOM 347 NZ LYS A 31 4.679 -5.009 9.656 1.00 0.00 N ATOM 0 H LYS A 31 7.003 -1.192 5.366 1.00 0.00 H new ATOM 0 HA LYS A 31 9.454 -2.208 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.014 -3.666 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.090 -1.977 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.834 -2.131 8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.888 -1.933 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.493 -3.852 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.952 -4.418 6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.169 -5.843 8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.696 -4.454 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.995 -5.283 10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.168 -4.105 9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.047 -5.743 9.276 1.00 0.00 H new ATOM 361 N GLY A 32 9.212 -4.233 5.197 1.00 0.00 N ATOM 362 CA GLY A 32 9.098 -5.335 4.263 1.00 0.00 C ATOM 363 C GLY A 32 8.863 -6.667 4.946 1.00 0.00 C ATOM 364 O GLY A 32 9.223 -6.853 6.108 1.00 0.00 O ATOM 0 H GLY A 32 10.138 -4.110 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.277 -5.137 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.008 -5.394 3.666 1.00 0.00 H new ATOM 368 N ASN A 33 8.256 -7.595 4.214 1.00 0.00 N ATOM 369 CA ASN A 33 7.967 -8.921 4.743 1.00 0.00 C ATOM 370 C ASN A 33 8.942 -9.952 4.184 1.00 0.00 C ATOM 371 O ASN A 33 9.920 -9.603 3.524 1.00 0.00 O ATOM 372 CB ASN A 33 6.528 -9.326 4.408 1.00 0.00 C ATOM 373 CG ASN A 33 5.597 -9.189 5.596 1.00 0.00 C ATOM 374 OD1 ASN A 33 4.841 -10.106 5.915 1.00 0.00 O ATOM 375 ND2 ASN A 33 5.646 -8.038 6.258 1.00 0.00 N ATOM 0 H ASN A 33 7.954 -7.452 3.250 1.00 0.00 H new ATOM 0 HA ASN A 33 8.083 -8.887 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.161 -8.707 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.516 -10.358 4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.041 -7.888 7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.288 -7.304 5.959 1.00 0.00 H new ATOM 382 N ARG A 34 8.666 -11.223 4.452 1.00 0.00 N ATOM 383 CA ARG A 34 9.515 -12.307 3.977 1.00 0.00 C ATOM 384 C ARG A 34 8.673 -13.535 3.633 1.00 0.00 C ATOM 385 O ARG A 34 7.700 -13.842 4.320 1.00 0.00 O ATOM 386 CB ARG A 34 10.564 -12.651 5.040 1.00 0.00 C ATOM 387 CG ARG A 34 11.507 -13.770 4.636 1.00 0.00 C ATOM 388 CD ARG A 34 10.876 -15.134 4.858 1.00 0.00 C ATOM 389 NE ARG A 34 11.717 -16.010 5.674 1.00 0.00 N ATOM 390 CZ ARG A 34 11.248 -16.858 6.590 1.00 0.00 C ATOM 391 NH1 ARG A 34 9.949 -16.921 6.853 1.00 0.00 N ATOM 392 NH2 ARG A 34 12.088 -17.637 7.257 1.00 0.00 N ATOM 0 H ARG A 34 7.859 -11.528 4.997 1.00 0.00 H new ATOM 0 HA ARG A 34 10.027 -11.983 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.149 -11.758 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.054 -12.934 5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.777 -13.659 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.430 -13.696 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.908 -15.009 5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.691 -15.607 3.894 1.00 0.00 H new ATOM 0 HE ARG A 34 12.726 -15.969 5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.297 -16.317 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.602 -17.574 7.556 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.089 -17.586 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.733 -18.287 7.958 1.00 0.00 H new ATOM 406 N SER A 35 9.045 -14.221 2.553 1.00 0.00 N ATOM 407 CA SER A 35 8.320 -15.409 2.097 1.00 0.00 C ATOM 408 C SER A 35 7.956 -16.336 3.258 1.00 0.00 C ATOM 409 O SER A 35 8.690 -16.447 4.235 1.00 0.00 O ATOM 410 CB SER A 35 9.152 -16.170 1.063 1.00 0.00 C ATOM 411 OG SER A 35 8.457 -16.288 -0.166 1.00 0.00 O ATOM 0 H SER A 35 9.848 -13.974 1.974 1.00 0.00 H new ATOM 0 HA SER A 35 7.391 -15.070 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.098 -15.653 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.393 -17.162 1.445 1.00 0.00 H new ATOM 0 HG SER A 35 9.011 -16.777 -0.810 1.00 0.00 H new ATOM 417 N LYS A 36 6.813 -17.001 3.139 1.00 0.00 N ATOM 418 CA LYS A 36 6.353 -17.917 4.176 1.00 0.00 C ATOM 419 C LYS A 36 7.265 -19.139 4.284 1.00 0.00 C ATOM 420 O LYS A 36 7.262 -19.835 5.299 1.00 0.00 O ATOM 421 CB LYS A 36 4.915 -18.365 3.895 1.00 0.00 C ATOM 422 CG LYS A 36 4.661 -18.727 2.440 1.00 0.00 C ATOM 423 CD LYS A 36 3.964 -17.598 1.697 1.00 0.00 C ATOM 424 CE LYS A 36 2.453 -17.691 1.832 1.00 0.00 C ATOM 425 NZ LYS A 36 1.795 -16.368 1.644 1.00 0.00 N ATOM 0 H LYS A 36 6.189 -16.923 2.336 1.00 0.00 H new ATOM 0 HA LYS A 36 6.383 -17.383 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.684 -19.227 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.232 -17.567 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.608 -18.956 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.050 -19.628 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.307 -16.639 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.239 -17.631 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.066 -18.397 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.200 -18.085 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.765 -16.475 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.145 -15.701 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.015 -16.003 0.695 1.00 0.00 H new ATOM 439 N GLU A 37 8.041 -19.399 3.235 1.00 0.00 N ATOM 440 CA GLU A 37 8.950 -20.539 3.222 1.00 0.00 C ATOM 441 C GLU A 37 10.394 -20.103 3.463 1.00 0.00 C ATOM 442 O GLU A 37 10.896 -20.184 4.584 1.00 0.00 O ATOM 443 CB GLU A 37 8.840 -21.290 1.893 1.00 0.00 C ATOM 444 CG GLU A 37 7.612 -22.181 1.797 1.00 0.00 C ATOM 445 CD GLU A 37 7.895 -23.487 1.079 1.00 0.00 C ATOM 446 OE1 GLU A 37 8.323 -23.440 -0.094 1.00 0.00 O ATOM 447 OE2 GLU A 37 7.687 -24.556 1.691 1.00 0.00 O ATOM 0 H GLU A 37 8.058 -18.836 2.385 1.00 0.00 H new ATOM 0 HA GLU A 37 8.661 -21.206 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.819 -20.567 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.733 -21.900 1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.243 -22.394 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.820 -21.647 1.273 1.00 0.00 H new ATOM 454 N ASN A 38 11.060 -19.646 2.406 1.00 0.00 N ATOM 455 CA ASN A 38 12.447 -19.201 2.509 1.00 0.00 C ATOM 456 C ASN A 38 12.529 -17.685 2.637 1.00 0.00 C ATOM 457 O ASN A 38 11.548 -16.980 2.400 1.00 0.00 O ATOM 458 CB ASN A 38 13.243 -19.664 1.286 1.00 0.00 C ATOM 459 CG ASN A 38 12.661 -19.145 -0.013 1.00 0.00 C ATOM 460 OD1 ASN A 38 11.516 -18.693 -0.058 1.00 0.00 O ATOM 461 ND2 ASN A 38 13.448 -19.207 -1.081 1.00 0.00 N ATOM 0 H ASN A 38 10.662 -19.574 1.469 1.00 0.00 H new ATOM 0 HA ASN A 38 12.877 -19.644 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.275 -19.326 1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.265 -20.754 1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.110 -18.872 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.390 -19.589 -0.999 1.00 0.00 H new ATOM 468 N HIS A 39 13.705 -17.187 3.014 1.00 0.00 N ATOM 469 CA HIS A 39 13.914 -15.752 3.174 1.00 0.00 C ATOM 470 C HIS A 39 13.823 -15.035 1.830 1.00 0.00 C ATOM 471 O HIS A 39 14.834 -14.602 1.276 1.00 0.00 O ATOM 472 CB HIS A 39 15.273 -15.477 3.823 1.00 0.00 C ATOM 473 CG HIS A 39 15.332 -15.839 5.276 1.00 0.00 C ATOM 474 ND1 HIS A 39 14.652 -15.144 6.258 1.00 0.00 N ATOM 475 CD2 HIS A 39 16.001 -16.827 5.915 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.902 -15.690 7.434 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.716 -16.713 7.253 1.00 0.00 N ATOM 0 H HIS A 39 14.527 -17.757 3.214 1.00 0.00 H new ATOM 0 HA HIS A 39 13.128 -15.368 3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 39 16.041 -16.035 3.287 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.511 -14.419 3.711 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.640 -17.567 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.508 -15.356 8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.075 -17.321 7.989 1.00 0.00 H new ATOM 486 N ALA A 40 12.605 -14.910 1.317 1.00 0.00 N ATOM 487 CA ALA A 40 12.376 -14.243 0.043 1.00 0.00 C ATOM 488 C ALA A 40 11.543 -12.981 0.233 1.00 0.00 C ATOM 489 O ALA A 40 10.316 -13.018 0.150 1.00 0.00 O ATOM 490 CB ALA A 40 11.694 -15.187 -0.935 1.00 0.00 C ATOM 0 H ALA A 40 11.760 -15.263 1.765 1.00 0.00 H new ATOM 0 HA ALA A 40 13.343 -13.954 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.530 -14.673 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.327 -16.059 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.736 -15.506 -0.525 1.00 0.00 H new ATOM 496 N ASP A 41 12.225 -11.865 0.494 1.00 0.00 N ATOM 497 CA ASP A 41 11.569 -10.576 0.703 1.00 0.00 C ATOM 498 C ASP A 41 10.372 -10.388 -0.227 1.00 0.00 C ATOM 499 O ASP A 41 10.509 -10.435 -1.450 1.00 0.00 O ATOM 500 CB ASP A 41 12.573 -9.444 0.480 1.00 0.00 C ATOM 501 CG ASP A 41 13.372 -9.628 -0.797 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.416 -10.312 -0.750 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.953 -9.088 -1.842 1.00 0.00 O ATOM 0 H ASP A 41 13.242 -11.830 0.566 1.00 0.00 H new ATOM 0 HA ASP A 41 11.201 -10.554 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.042 -8.493 0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.255 -9.393 1.329 1.00 0.00 H new ATOM 508 N LEU A 42 9.202 -10.168 0.363 1.00 0.00 N ATOM 509 CA LEU A 42 7.983 -9.966 -0.411 1.00 0.00 C ATOM 510 C LEU A 42 7.788 -8.487 -0.753 1.00 0.00 C ATOM 511 O LEU A 42 6.754 -8.100 -1.294 1.00 0.00 O ATOM 512 CB LEU A 42 6.770 -10.485 0.364 1.00 0.00 C ATOM 513 CG LEU A 42 6.959 -11.848 1.031 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.702 -12.251 1.784 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.324 -12.902 -0.004 1.00 0.00 C ATOM 0 H LEU A 42 9.072 -10.125 1.374 1.00 0.00 H new ATOM 0 HA LEU A 42 8.079 -10.525 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.510 -9.756 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.922 -10.546 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 42 7.778 -11.771 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.854 -13.223 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.484 -11.509 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.865 -12.310 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.455 -13.866 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.527 -12.977 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.253 -12.619 -0.500 1.00 0.00 H new ATOM 527 N GLY A 43 8.787 -7.666 -0.431 1.00 0.00 N ATOM 528 CA GLY A 43 8.698 -6.245 -0.713 1.00 0.00 C ATOM 529 C GLY A 43 8.387 -5.429 0.526 1.00 0.00 C ATOM 530 O GLY A 43 8.349 -5.965 1.632 1.00 0.00 O ATOM 0 H GLY A 43 9.654 -7.961 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.639 -5.903 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.924 -6.074 -1.461 1.00 0.00 H new ATOM 534 N ILE A 44 8.171 -4.128 0.342 1.00 0.00 N ATOM 535 CA ILE A 44 7.868 -3.235 1.458 1.00 0.00 C ATOM 536 C ILE A 44 6.453 -2.672 1.355 1.00 0.00 C ATOM 537 O ILE A 44 5.960 -2.400 0.260 1.00 0.00 O ATOM 538 CB ILE A 44 8.866 -2.060 1.528 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.176 -1.539 0.122 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.144 -2.485 2.239 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.334 -2.247 -0.547 1.00 0.00 C ATOM 0 H ILE A 44 8.200 -3.669 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 44 7.952 -3.834 2.365 1.00 0.00 H new ATOM 0 HB ILE A 44 8.410 -1.252 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.287 -1.647 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.397 -0.473 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.835 -1.643 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.906 -2.807 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.606 -3.309 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.495 -1.825 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.235 -2.118 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.108 -3.309 -0.637 1.00 0.00 H new ATOM 553 N PHE A 45 5.807 -2.492 2.505 1.00 0.00 N ATOM 554 CA PHE A 45 4.451 -1.954 2.549 1.00 0.00 C ATOM 555 C PHE A 45 4.373 -0.767 3.500 1.00 0.00 C ATOM 556 O PHE A 45 5.020 -0.756 4.548 1.00 0.00 O ATOM 557 CB PHE A 45 3.449 -3.027 2.990 1.00 0.00 C ATOM 558 CG PHE A 45 3.869 -4.432 2.664 1.00 0.00 C ATOM 559 CD1 PHE A 45 3.848 -4.891 1.356 1.00 0.00 C ATOM 560 CD2 PHE A 45 4.280 -5.295 3.667 1.00 0.00 C ATOM 561 CE1 PHE A 45 4.230 -6.184 1.055 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.663 -6.590 3.372 1.00 0.00 C ATOM 563 CZ PHE A 45 4.638 -7.034 2.065 1.00 0.00 C ATOM 0 H PHE A 45 6.202 -2.711 3.419 1.00 0.00 H new ATOM 0 HA PHE A 45 4.195 -1.624 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.297 -2.946 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.488 -2.828 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.529 -4.230 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.301 -4.952 4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.210 -6.530 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.981 -7.253 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.937 -8.045 1.832 1.00 0.00 H new ATOM 573 N VAL A 46 3.572 0.228 3.134 1.00 0.00 N ATOM 574 CA VAL A 46 3.404 1.414 3.964 1.00 0.00 C ATOM 575 C VAL A 46 2.852 1.033 5.334 1.00 0.00 C ATOM 576 O VAL A 46 1.667 0.731 5.473 1.00 0.00 O ATOM 577 CB VAL A 46 2.462 2.438 3.300 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.383 3.713 4.127 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.923 2.745 1.883 1.00 0.00 C ATOM 0 H VAL A 46 3.030 0.236 2.270 1.00 0.00 H new ATOM 0 HA VAL A 46 4.386 1.872 4.081 1.00 0.00 H new ATOM 0 HB VAL A 46 1.464 2.003 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.713 4.422 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.003 3.479 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.376 4.153 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.247 3.469 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.932 3.157 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.921 1.828 1.293 1.00 0.00 H new ATOM 589 N LYS A 47 3.718 1.044 6.342 1.00 0.00 N ATOM 590 CA LYS A 47 3.314 0.692 7.699 1.00 0.00 C ATOM 591 C LYS A 47 2.479 1.801 8.321 1.00 0.00 C ATOM 592 O LYS A 47 1.473 1.540 8.982 1.00 0.00 O ATOM 593 CB LYS A 47 4.544 0.418 8.567 1.00 0.00 C ATOM 594 CG LYS A 47 4.205 0.045 10.001 1.00 0.00 C ATOM 595 CD LYS A 47 3.704 -1.386 10.101 1.00 0.00 C ATOM 596 CE LYS A 47 2.676 -1.539 11.210 1.00 0.00 C ATOM 597 NZ LYS A 47 1.563 -2.447 10.814 1.00 0.00 N ATOM 0 H LYS A 47 4.703 1.292 6.245 1.00 0.00 H new ATOM 0 HA LYS A 47 2.707 -0.212 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.123 -0.389 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.180 1.303 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.088 0.167 10.628 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.445 0.725 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.263 -1.686 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.544 -2.055 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.162 -1.929 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.272 -0.560 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.883 -2.525 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.083 -2.062 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.945 -3.388 10.592 1.00 0.00 H new ATOM 611 N SER A 48 2.902 3.039 8.108 1.00 0.00 N ATOM 612 CA SER A 48 2.191 4.189 8.650 1.00 0.00 C ATOM 613 C SER A 48 2.707 5.488 8.041 1.00 0.00 C ATOM 614 O SER A 48 3.894 5.800 8.129 1.00 0.00 O ATOM 615 CB SER A 48 2.334 4.232 10.172 1.00 0.00 C ATOM 616 OG SER A 48 1.444 3.321 10.794 1.00 0.00 O ATOM 0 H SER A 48 3.733 3.273 7.565 1.00 0.00 H new ATOM 0 HA SER A 48 1.137 4.085 8.394 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.360 3.991 10.451 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.135 5.242 10.531 1.00 0.00 H new ATOM 0 HG SER A 48 1.099 2.692 10.126 1.00 0.00 H new ATOM 622 N ILE A 49 1.804 6.243 7.428 1.00 0.00 N ATOM 623 CA ILE A 49 2.161 7.511 6.808 1.00 0.00 C ATOM 624 C ILE A 49 2.150 8.638 7.831 1.00 0.00 C ATOM 625 O ILE A 49 1.108 8.965 8.401 1.00 0.00 O ATOM 626 CB ILE A 49 1.201 7.857 5.650 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.205 6.731 4.616 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.586 9.182 5.003 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.163 6.902 3.533 1.00 0.00 C ATOM 0 H ILE A 49 0.817 5.998 7.347 1.00 0.00 H new ATOM 0 HA ILE A 49 3.169 7.403 6.407 1.00 0.00 H new ATOM 0 HB ILE A 49 0.194 7.962 6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.191 6.676 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.037 5.781 5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.895 9.404 4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.539 9.977 5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.600 9.113 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.223 6.067 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.829 6.927 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.343 7.835 2.999 1.00 0.00 H new ATOM 641 N ILE A 50 3.317 9.232 8.058 1.00 0.00 N ATOM 642 CA ILE A 50 3.447 10.328 9.012 1.00 0.00 C ATOM 643 C ILE A 50 2.431 11.426 8.715 1.00 0.00 C ATOM 644 O ILE A 50 2.620 12.226 7.801 1.00 0.00 O ATOM 645 CB ILE A 50 4.879 10.920 8.992 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.841 9.993 9.734 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.915 12.315 9.613 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.962 9.459 8.871 1.00 0.00 C ATOM 0 H ILE A 50 4.187 8.973 7.594 1.00 0.00 H new ATOM 0 HA ILE A 50 3.252 9.924 10.005 1.00 0.00 H new ATOM 0 HB ILE A 50 5.191 11.007 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.270 10.531 10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.279 9.154 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.934 12.701 9.583 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.259 12.980 9.052 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.578 12.261 10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.603 8.809 9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.543 8.892 8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.550 10.291 8.482 1.00 0.00 H new ATOM 660 N ASN A 51 1.355 11.457 9.496 1.00 0.00 N ATOM 661 CA ASN A 51 0.309 12.460 9.317 1.00 0.00 C ATOM 662 C ASN A 51 0.877 13.866 9.490 1.00 0.00 C ATOM 663 O ASN A 51 0.759 14.473 10.553 1.00 0.00 O ATOM 664 CB ASN A 51 -0.841 12.231 10.305 1.00 0.00 C ATOM 665 CG ASN A 51 -0.358 11.824 11.685 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.582 10.696 12.125 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.306 12.743 12.377 1.00 0.00 N ATOM 0 H ASN A 51 1.184 10.800 10.258 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.081 12.362 8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.431 13.144 10.386 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.502 11.458 9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.653 12.526 13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.469 13.666 11.974 1.00 0.00 H new ATOM 674 N GLY A 52 1.504 14.368 8.435 1.00 0.00 N ATOM 675 CA GLY A 52 2.097 15.689 8.474 1.00 0.00 C ATOM 676 C GLY A 52 3.248 15.815 7.500 1.00 0.00 C ATOM 677 O GLY A 52 3.514 16.897 6.976 1.00 0.00 O ATOM 0 H GLY A 52 1.613 13.879 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.338 16.436 8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.450 15.900 9.484 1.00 0.00 H new ATOM 681 N GLY A 53 3.932 14.701 7.250 1.00 0.00 N ATOM 682 CA GLY A 53 5.050 14.712 6.328 1.00 0.00 C ATOM 683 C GLY A 53 4.623 15.025 4.907 1.00 0.00 C ATOM 684 O GLY A 53 3.476 15.396 4.660 1.00 0.00 O ATOM 0 H GLY A 53 3.731 13.793 7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.781 15.451 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.546 13.741 6.350 1.00 0.00 H new ATOM 688 N ALA A 54 5.553 14.877 3.972 1.00 0.00 N ATOM 689 CA ALA A 54 5.283 15.149 2.565 1.00 0.00 C ATOM 690 C ALA A 54 4.318 14.134 1.964 1.00 0.00 C ATOM 691 O ALA A 54 3.480 14.479 1.130 1.00 0.00 O ATOM 692 CB ALA A 54 6.583 15.156 1.785 1.00 0.00 C ATOM 0 H ALA A 54 6.506 14.568 4.164 1.00 0.00 H new ATOM 0 HA ALA A 54 4.810 16.129 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.376 15.360 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.241 15.929 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.068 14.184 1.877 1.00 0.00 H new ATOM 698 N ALA A 55 4.446 12.881 2.380 1.00 0.00 N ATOM 699 CA ALA A 55 3.590 11.815 1.869 1.00 0.00 C ATOM 700 C ALA A 55 2.143 12.010 2.296 1.00 0.00 C ATOM 701 O ALA A 55 1.222 11.845 1.497 1.00 0.00 O ATOM 702 CB ALA A 55 4.101 10.465 2.334 1.00 0.00 C ATOM 0 H ALA A 55 5.133 12.577 3.069 1.00 0.00 H new ATOM 0 HA ALA A 55 3.622 11.852 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.454 9.678 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.116 10.314 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.100 10.431 3.423 1.00 0.00 H new ATOM 708 N SER A 56 1.951 12.367 3.558 1.00 0.00 N ATOM 709 CA SER A 56 0.611 12.591 4.087 1.00 0.00 C ATOM 710 C SER A 56 0.016 13.856 3.483 1.00 0.00 C ATOM 711 O SER A 56 -1.195 13.956 3.279 1.00 0.00 O ATOM 712 CB SER A 56 0.653 12.703 5.610 1.00 0.00 C ATOM 713 OG SER A 56 0.138 11.532 6.223 1.00 0.00 O ATOM 0 H SER A 56 2.702 12.508 4.233 1.00 0.00 H new ATOM 0 HA SER A 56 -0.018 11.742 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.680 12.867 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.074 13.569 5.930 1.00 0.00 H new ATOM 0 HG SER A 56 -0.827 11.633 6.362 1.00 0.00 H new ATOM 719 N LYS A 57 0.885 14.816 3.194 1.00 0.00 N ATOM 720 CA LYS A 57 0.472 16.081 2.606 1.00 0.00 C ATOM 721 C LYS A 57 0.071 15.896 1.148 1.00 0.00 C ATOM 722 O LYS A 57 -0.826 16.573 0.646 1.00 0.00 O ATOM 723 CB LYS A 57 1.598 17.090 2.719 1.00 0.00 C ATOM 724 CG LYS A 57 1.704 17.674 4.111 1.00 0.00 C ATOM 725 CD LYS A 57 2.841 18.659 4.202 1.00 0.00 C ATOM 726 CE LYS A 57 2.344 20.082 4.015 1.00 0.00 C ATOM 727 NZ LYS A 57 3.306 21.084 4.551 1.00 0.00 N ATOM 0 H LYS A 57 1.889 14.740 3.360 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.397 16.451 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.541 16.611 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.437 17.894 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.769 18.169 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.855 16.873 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.331 18.566 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.589 18.428 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.177 20.271 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.383 20.199 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.928 22.042 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.447 20.921 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.216 20.991 4.056 1.00 0.00 H new ATOM 741 N ASP A 58 0.741 14.963 0.477 1.00 0.00 N ATOM 742 CA ASP A 58 0.456 14.673 -0.922 1.00 0.00 C ATOM 743 C ASP A 58 -0.972 14.170 -1.090 1.00 0.00 C ATOM 744 O ASP A 58 -1.578 14.327 -2.150 1.00 0.00 O ATOM 745 CB ASP A 58 1.443 13.632 -1.459 1.00 0.00 C ATOM 746 CG ASP A 58 1.484 13.603 -2.974 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.595 14.687 -3.585 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.406 12.497 -3.549 1.00 0.00 O ATOM 0 H ASP A 58 1.486 14.395 0.882 1.00 0.00 H new ATOM 0 HA ASP A 58 0.567 15.596 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.440 13.849 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.165 12.646 -1.087 1.00 0.00 H new ATOM 753 N GLY A 59 -1.507 13.564 -0.033 1.00 0.00 N ATOM 754 CA GLY A 59 -2.861 13.047 -0.081 1.00 0.00 C ATOM 755 C GLY A 59 -3.049 12.003 -1.164 1.00 0.00 C ATOM 756 O GLY A 59 -4.098 11.949 -1.807 1.00 0.00 O ATOM 0 H GLY A 59 -1.026 13.423 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.114 12.612 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.554 13.871 -0.251 1.00 0.00 H new ATOM 760 N ARG A 60 -2.033 11.169 -1.369 1.00 0.00 N ATOM 761 CA ARG A 60 -2.100 10.124 -2.383 1.00 0.00 C ATOM 762 C ARG A 60 -1.663 8.779 -1.810 1.00 0.00 C ATOM 763 O ARG A 60 -2.174 7.731 -2.207 1.00 0.00 O ATOM 764 CB ARG A 60 -1.223 10.494 -3.582 1.00 0.00 C ATOM 765 CG ARG A 60 -2.015 11.019 -4.769 1.00 0.00 C ATOM 766 CD ARG A 60 -1.158 11.902 -5.662 1.00 0.00 C ATOM 767 NE ARG A 60 -0.882 13.198 -5.048 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.579 14.297 -5.736 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.502 14.262 -7.062 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.348 15.436 -5.097 1.00 0.00 N ATOM 0 H ARG A 60 -1.157 11.197 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.135 10.036 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.500 11.249 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.656 9.617 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.403 10.181 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.875 11.586 -4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.217 11.395 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.664 12.053 -6.615 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.924 13.265 -4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.676 13.389 -7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.269 15.108 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.402 15.470 -4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.116 16.278 -5.624 1.00 0.00 H new ATOM 784 N LEU A 61 -0.716 8.814 -0.879 1.00 0.00 N ATOM 785 CA LEU A 61 -0.215 7.595 -0.258 1.00 0.00 C ATOM 786 C LEU A 61 -1.307 6.896 0.543 1.00 0.00 C ATOM 787 O LEU A 61 -2.287 7.516 0.956 1.00 0.00 O ATOM 788 CB LEU A 61 0.971 7.909 0.652 1.00 0.00 C ATOM 789 CG LEU A 61 2.308 8.049 -0.068 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.629 9.513 -0.326 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.424 7.388 0.730 1.00 0.00 C ATOM 0 H LEU A 61 -0.281 9.672 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 61 0.110 6.926 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.764 8.835 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.057 7.120 1.399 1.00 0.00 H new ATOM 0 HG LEU A 61 2.230 7.541 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.587 9.590 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.848 9.953 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.683 10.046 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.368 7.500 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.501 7.862 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.203 6.328 0.856 1.00 0.00 H new ATOM 803 N ARG A 62 -1.122 5.601 0.761 1.00 0.00 N ATOM 804 CA ARG A 62 -2.079 4.804 1.516 1.00 0.00 C ATOM 805 C ARG A 62 -1.370 3.669 2.248 1.00 0.00 C ATOM 806 O ARG A 62 -0.670 2.864 1.636 1.00 0.00 O ATOM 807 CB ARG A 62 -3.154 4.238 0.585 1.00 0.00 C ATOM 808 CG ARG A 62 -4.569 4.602 1.003 1.00 0.00 C ATOM 809 CD ARG A 62 -5.054 5.860 0.301 1.00 0.00 C ATOM 810 NE ARG A 62 -4.804 5.816 -1.138 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.754 6.894 -1.916 1.00 0.00 C ATOM 812 NH1 ARG A 62 -4.941 8.104 -1.399 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.515 6.764 -3.213 1.00 0.00 N ATOM 0 H ARG A 62 -0.314 5.078 0.424 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.557 5.450 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.977 4.603 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.061 3.152 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.241 3.775 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.603 4.751 2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.122 5.986 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.555 6.729 0.729 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.659 4.904 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.124 8.210 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.902 8.927 -2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.369 5.838 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.477 7.590 -3.810 1.00 0.00 H new ATOM 827 N VAL A 63 -1.552 3.615 3.563 1.00 0.00 N ATOM 828 CA VAL A 63 -0.926 2.581 4.376 1.00 0.00 C ATOM 829 C VAL A 63 -1.310 1.186 3.887 1.00 0.00 C ATOM 830 O VAL A 63 -2.441 0.961 3.457 1.00 0.00 O ATOM 831 CB VAL A 63 -1.303 2.725 5.862 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.553 1.708 6.709 1.00 0.00 C ATOM 833 CG2 VAL A 63 -1.019 4.139 6.345 1.00 0.00 C ATOM 0 H VAL A 63 -2.127 4.274 4.087 1.00 0.00 H new ATOM 0 HA VAL A 63 0.152 2.709 4.275 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.371 2.531 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.834 1.828 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.807 0.701 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.520 1.866 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.291 4.226 7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.042 4.358 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.605 4.848 5.760 1.00 0.00 H new ATOM 843 N ASN A 64 -0.350 0.261 3.952 1.00 0.00 N ATOM 844 CA ASN A 64 -0.556 -1.124 3.517 1.00 0.00 C ATOM 845 C ASN A 64 -0.297 -1.278 2.019 1.00 0.00 C ATOM 846 O ASN A 64 -0.362 -2.385 1.483 1.00 0.00 O ATOM 847 CB ASN A 64 -1.967 -1.616 3.859 1.00 0.00 C ATOM 848 CG ASN A 64 -2.393 -1.228 5.262 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.748 -1.597 6.243 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.485 -0.478 5.363 1.00 0.00 N ATOM 0 H ASN A 64 0.588 0.449 4.306 1.00 0.00 H new ATOM 0 HA ASN A 64 0.162 -1.739 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.676 -1.204 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.005 -2.701 3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.819 -0.185 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.989 -0.195 4.523 1.00 0.00 H new ATOM 857 N ASP A 65 0.006 -0.170 1.348 1.00 0.00 N ATOM 858 CA ASP A 65 0.283 -0.199 -0.082 1.00 0.00 C ATOM 859 C ASP A 65 1.698 -0.702 -0.342 1.00 0.00 C ATOM 860 O ASP A 65 2.668 -0.148 0.177 1.00 0.00 O ATOM 861 CB ASP A 65 0.103 1.195 -0.688 1.00 0.00 C ATOM 862 CG ASP A 65 -1.356 1.550 -0.898 1.00 0.00 C ATOM 863 OD1 ASP A 65 -2.207 1.037 -0.142 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.646 2.344 -1.818 1.00 0.00 O ATOM 0 H ASP A 65 0.065 0.756 1.772 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.423 -0.882 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.564 1.935 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.627 1.244 -1.643 1.00 0.00 H new ATOM 869 N GLN A 66 1.812 -1.753 -1.144 1.00 0.00 N ATOM 870 CA GLN A 66 3.110 -2.330 -1.468 1.00 0.00 C ATOM 871 C GLN A 66 3.858 -1.448 -2.461 1.00 0.00 C ATOM 872 O GLN A 66 3.287 -0.992 -3.448 1.00 0.00 O ATOM 873 CB GLN A 66 2.926 -3.742 -2.037 1.00 0.00 C ATOM 874 CG GLN A 66 4.146 -4.285 -2.770 1.00 0.00 C ATOM 875 CD GLN A 66 4.554 -5.660 -2.286 1.00 0.00 C ATOM 876 OE1 GLN A 66 3.873 -6.652 -2.547 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.673 -5.725 -1.576 1.00 0.00 N ATOM 0 H GLN A 66 1.020 -2.224 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 66 3.703 -2.391 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.675 -4.420 -1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.077 -3.738 -2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.933 -4.329 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.980 -3.596 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.205 -4.876 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.001 -6.624 -1.222 1.00 0.00 H new ATOM 886 N LEU A 67 5.138 -1.213 -2.195 1.00 0.00 N ATOM 887 CA LEU A 67 5.959 -0.385 -3.072 1.00 0.00 C ATOM 888 C LEU A 67 6.555 -1.219 -4.200 1.00 0.00 C ATOM 889 O LEU A 67 7.010 -2.342 -3.982 1.00 0.00 O ATOM 890 CB LEU A 67 7.073 0.297 -2.278 1.00 0.00 C ATOM 891 CG LEU A 67 6.602 1.102 -1.065 1.00 0.00 C ATOM 892 CD1 LEU A 67 7.765 1.380 -0.126 1.00 0.00 C ATOM 893 CD2 LEU A 67 5.946 2.402 -1.508 1.00 0.00 C ATOM 0 H LEU A 67 5.629 -1.583 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 67 5.320 0.382 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.776 -0.464 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.620 0.962 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 67 5.861 0.512 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.412 1.953 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.188 0.436 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.530 1.950 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.618 2.961 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.664 2.999 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.086 2.179 -2.139 1.00 0.00 H new ATOM 905 N ILE A 68 6.543 -0.664 -5.408 1.00 0.00 N ATOM 906 CA ILE A 68 7.078 -1.358 -6.573 1.00 0.00 C ATOM 907 C ILE A 68 8.204 -0.565 -7.226 1.00 0.00 C ATOM 908 O ILE A 68 9.181 -1.142 -7.707 1.00 0.00 O ATOM 909 CB ILE A 68 5.979 -1.623 -7.620 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.746 -2.236 -6.954 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.504 -2.535 -8.720 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.511 -2.207 -7.830 1.00 0.00 C ATOM 0 H ILE A 68 6.169 0.264 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 68 7.472 -2.310 -6.217 1.00 0.00 H new ATOM 0 HB ILE A 68 5.690 -0.673 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.965 -3.269 -6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.538 -1.700 -6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.716 -2.713 -9.452 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.355 -2.061 -9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.818 -3.485 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.675 -2.657 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.267 -1.175 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.701 -2.768 -8.745 1.00 0.00 H new ATOM 924 N ALA A 69 8.065 0.756 -7.247 1.00 0.00 N ATOM 925 CA ALA A 69 9.076 1.616 -7.848 1.00 0.00 C ATOM 926 C ALA A 69 9.123 2.976 -7.163 1.00 0.00 C ATOM 927 O ALA A 69 8.263 3.302 -6.346 1.00 0.00 O ATOM 928 CB ALA A 69 8.809 1.782 -9.337 1.00 0.00 C ATOM 0 H ALA A 69 7.265 1.253 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 69 10.047 1.139 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.572 2.427 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.837 0.807 -9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.827 2.232 -9.483 1.00 0.00 H new ATOM 934 N VAL A 70 10.134 3.768 -7.505 1.00 0.00 N ATOM 935 CA VAL A 70 10.296 5.094 -6.928 1.00 0.00 C ATOM 936 C VAL A 70 11.148 5.982 -7.832 1.00 0.00 C ATOM 937 O VAL A 70 12.289 5.647 -8.148 1.00 0.00 O ATOM 938 CB VAL A 70 10.937 5.021 -5.524 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.395 4.586 -5.611 1.00 0.00 C ATOM 940 CG2 VAL A 70 10.808 6.356 -4.805 1.00 0.00 C ATOM 0 H VAL A 70 10.854 3.512 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 70 9.301 5.529 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 70 10.400 4.270 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.822 4.543 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.454 3.601 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.953 5.303 -6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.265 6.284 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.312 7.131 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.754 6.611 -4.698 1.00 0.00 H new ATOM 950 N ASN A 71 10.582 7.109 -8.251 1.00 0.00 N ATOM 951 CA ASN A 71 11.289 8.039 -9.126 1.00 0.00 C ATOM 952 C ASN A 71 11.649 7.366 -10.447 1.00 0.00 C ATOM 953 O ASN A 71 12.609 7.754 -11.112 1.00 0.00 O ATOM 954 CB ASN A 71 12.558 8.556 -8.447 1.00 0.00 C ATOM 955 CG ASN A 71 12.257 9.420 -7.239 1.00 0.00 C ATOM 956 OD1 ASN A 71 11.839 10.570 -7.372 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.473 8.869 -6.051 1.00 0.00 N ATOM 0 H ASN A 71 9.637 7.401 -8.000 1.00 0.00 H new ATOM 0 HA ASN A 71 10.627 8.881 -9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.173 7.710 -8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.142 9.131 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.292 9.403 -5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.820 7.912 -5.988 1.00 0.00 H new ATOM 964 N GLY A 72 10.876 6.350 -10.816 1.00 0.00 N ATOM 965 CA GLY A 72 11.135 5.633 -12.050 1.00 0.00 C ATOM 966 C GLY A 72 12.140 4.516 -11.861 1.00 0.00 C ATOM 967 O GLY A 72 12.794 4.091 -12.814 1.00 0.00 O ATOM 0 H GLY A 72 10.075 6.011 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.201 5.219 -12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.505 6.329 -12.802 1.00 0.00 H new ATOM 971 N GLU A 73 12.268 4.043 -10.624 1.00 0.00 N ATOM 972 CA GLU A 73 13.205 2.971 -10.307 1.00 0.00 C ATOM 973 C GLU A 73 12.497 1.834 -9.577 1.00 0.00 C ATOM 974 O GLU A 73 11.945 2.028 -8.493 1.00 0.00 O ATOM 975 CB GLU A 73 14.357 3.507 -9.450 1.00 0.00 C ATOM 976 CG GLU A 73 14.717 4.956 -9.743 1.00 0.00 C ATOM 977 CD GLU A 73 16.213 5.173 -9.862 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.841 4.520 -10.723 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.757 5.993 -9.094 1.00 0.00 O ATOM 0 H GLU A 73 11.734 4.386 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 73 13.610 2.584 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.088 3.415 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.237 2.884 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.234 5.266 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.323 5.592 -8.950 1.00 0.00 H new ATOM 986 N SER A 74 12.512 0.651 -10.180 1.00 0.00 N ATOM 987 CA SER A 74 11.867 -0.518 -9.590 1.00 0.00 C ATOM 988 C SER A 74 12.620 -0.994 -8.351 1.00 0.00 C ATOM 989 O SER A 74 13.824 -0.776 -8.222 1.00 0.00 O ATOM 990 CB SER A 74 11.783 -1.648 -10.617 1.00 0.00 C ATOM 991 OG SER A 74 13.063 -1.973 -11.128 1.00 0.00 O ATOM 0 H SER A 74 12.964 0.475 -11.077 1.00 0.00 H new ATOM 0 HA SER A 74 10.859 -0.232 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.338 -2.530 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.127 -1.351 -11.435 1.00 0.00 H new ATOM 0 HG SER A 74 12.980 -2.699 -11.781 1.00 0.00 H new ATOM 997 N LEU A 75 11.898 -1.642 -7.444 1.00 0.00 N ATOM 998 CA LEU A 75 12.492 -2.152 -6.212 1.00 0.00 C ATOM 999 C LEU A 75 12.481 -3.681 -6.181 1.00 0.00 C ATOM 1000 O LEU A 75 13.175 -4.298 -5.371 1.00 0.00 O ATOM 1001 CB LEU A 75 11.739 -1.608 -4.997 1.00 0.00 C ATOM 1002 CG LEU A 75 11.684 -0.083 -4.895 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.401 0.359 -4.207 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.900 0.443 -4.146 1.00 0.00 C ATOM 0 H LEU A 75 10.899 -1.827 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 75 13.528 -1.815 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.719 -1.992 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.207 -2.000 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 75 11.694 0.332 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.379 1.447 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.542 0.012 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.362 -0.064 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.846 1.530 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.919 0.021 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.807 0.156 -4.678 1.00 0.00 H new ATOM 1016 N LEU A 76 11.688 -4.288 -7.061 1.00 0.00 N ATOM 1017 CA LEU A 76 11.585 -5.742 -7.129 1.00 0.00 C ATOM 1018 C LEU A 76 12.948 -6.390 -7.374 1.00 0.00 C ATOM 1019 O LEU A 76 13.123 -7.585 -7.134 1.00 0.00 O ATOM 1020 CB LEU A 76 10.609 -6.152 -8.233 1.00 0.00 C ATOM 1021 CG LEU A 76 9.133 -5.914 -7.909 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.363 -5.552 -9.169 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.529 -7.144 -7.248 1.00 0.00 C ATOM 0 H LEU A 76 11.107 -3.794 -7.738 1.00 0.00 H new ATOM 0 HA LEU A 76 11.212 -6.093 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.860 -5.604 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.752 -7.211 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 76 9.062 -5.079 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.315 -5.386 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.781 -4.643 -9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.440 -6.366 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.479 -6.958 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.611 -7.997 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.064 -7.360 -6.323 1.00 0.00 H new ATOM 1035 N GLY A 77 13.908 -5.603 -7.853 1.00 0.00 N ATOM 1036 CA GLY A 77 15.233 -6.132 -8.120 1.00 0.00 C ATOM 1037 C GLY A 77 16.151 -6.078 -6.910 1.00 0.00 C ATOM 1038 O GLY A 77 17.373 -6.115 -7.053 1.00 0.00 O ATOM 0 H GLY A 77 13.792 -4.611 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.144 -7.165 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.685 -5.569 -8.937 1.00 0.00 H new ATOM 1042 N LYS A 78 15.567 -5.994 -5.717 1.00 0.00 N ATOM 1043 CA LYS A 78 16.351 -5.939 -4.488 1.00 0.00 C ATOM 1044 C LYS A 78 15.511 -6.325 -3.282 1.00 0.00 C ATOM 1045 O LYS A 78 14.289 -6.446 -3.367 1.00 0.00 O ATOM 1046 CB LYS A 78 16.944 -4.543 -4.292 1.00 0.00 C ATOM 1047 CG LYS A 78 15.912 -3.429 -4.322 1.00 0.00 C ATOM 1048 CD LYS A 78 16.572 -2.060 -4.263 1.00 0.00 C ATOM 1049 CE LYS A 78 17.333 -1.751 -5.542 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.646 -1.107 -5.266 1.00 0.00 N ATOM 0 H LYS A 78 14.557 -5.963 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 78 17.165 -6.658 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.470 -4.513 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.685 -4.360 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.315 -3.508 -5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.228 -3.542 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.812 -1.296 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.255 -2.021 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.492 -2.673 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.732 -1.095 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.148 -0.944 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.492 -0.198 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.217 -1.729 -4.658 1.00 0.00 H new ATOM 1064 N ALA A 79 16.188 -6.530 -2.164 1.00 0.00 N ATOM 1065 CA ALA A 79 15.536 -6.920 -0.925 1.00 0.00 C ATOM 1066 C ALA A 79 14.751 -5.762 -0.313 1.00 0.00 C ATOM 1067 O ALA A 79 14.799 -4.636 -0.808 1.00 0.00 O ATOM 1068 CB ALA A 79 16.576 -7.441 0.047 1.00 0.00 C ATOM 0 H ALA A 79 17.200 -6.431 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 79 14.818 -7.710 -1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.090 -7.734 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.080 -8.305 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.308 -6.659 0.251 1.00 0.00 H new ATOM 1074 N ASN A 80 14.022 -6.052 0.763 1.00 0.00 N ATOM 1075 CA ASN A 80 13.218 -5.034 1.438 1.00 0.00 C ATOM 1076 C ASN A 80 14.072 -3.853 1.884 1.00 0.00 C ATOM 1077 O ASN A 80 13.818 -2.713 1.498 1.00 0.00 O ATOM 1078 CB ASN A 80 12.510 -5.628 2.657 1.00 0.00 C ATOM 1079 CG ASN A 80 11.851 -6.960 2.362 1.00 0.00 C ATOM 1080 OD1 ASN A 80 10.879 -7.033 1.610 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.379 -8.022 2.959 1.00 0.00 N ATOM 0 H ASN A 80 13.971 -6.979 1.185 1.00 0.00 H new ATOM 0 HA ASN A 80 12.478 -4.680 0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.231 -5.756 3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.756 -4.925 3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.978 -8.947 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.185 -7.913 3.574 1.00 0.00 H new ATOM 1088 N GLN A 81 15.077 -4.130 2.706 1.00 0.00 N ATOM 1089 CA GLN A 81 15.959 -3.083 3.212 1.00 0.00 C ATOM 1090 C GLN A 81 16.638 -2.338 2.067 1.00 0.00 C ATOM 1091 O GLN A 81 16.875 -1.131 2.152 1.00 0.00 O ATOM 1092 CB GLN A 81 16.999 -3.674 4.171 1.00 0.00 C ATOM 1093 CG GLN A 81 18.227 -4.247 3.486 1.00 0.00 C ATOM 1094 CD GLN A 81 17.938 -5.539 2.748 1.00 0.00 C ATOM 1095 OE1 GLN A 81 16.937 -6.206 3.009 1.00 0.00 O ATOM 1096 NE2 GLN A 81 18.819 -5.901 1.822 1.00 0.00 N ATOM 0 H GLN A 81 15.302 -5.068 3.036 1.00 0.00 H new ATOM 0 HA GLN A 81 15.352 -2.365 3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.315 -2.898 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.527 -4.460 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.621 -3.513 2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 81 19.003 -4.425 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.635 -5.317 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 81 18.679 -6.763 1.294 1.00 0.00 H new ATOM 1105 N GLU A 82 16.936 -3.058 0.994 1.00 0.00 N ATOM 1106 CA GLU A 82 17.571 -2.462 -0.170 1.00 0.00 C ATOM 1107 C GLU A 82 16.587 -1.559 -0.888 1.00 0.00 C ATOM 1108 O GLU A 82 16.941 -0.482 -1.367 1.00 0.00 O ATOM 1109 CB GLU A 82 18.083 -3.544 -1.121 1.00 0.00 C ATOM 1110 CG GLU A 82 19.499 -4.002 -0.816 1.00 0.00 C ATOM 1111 CD GLU A 82 20.328 -4.209 -2.069 1.00 0.00 C ATOM 1112 OE1 GLU A 82 19.846 -4.898 -2.992 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.457 -3.680 -2.126 1.00 0.00 O ATOM 0 H GLU A 82 16.747 -4.057 0.907 1.00 0.00 H new ATOM 0 HA GLU A 82 18.423 -1.870 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.414 -4.403 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.045 -3.166 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.987 -3.263 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.462 -4.934 -0.251 1.00 0.00 H new ATOM 1120 N ALA A 83 15.341 -2.011 -0.949 1.00 0.00 N ATOM 1121 CA ALA A 83 14.291 -1.253 -1.598 1.00 0.00 C ATOM 1122 C ALA A 83 13.961 -0.003 -0.797 1.00 0.00 C ATOM 1123 O ALA A 83 13.806 1.083 -1.354 1.00 0.00 O ATOM 1124 CB ALA A 83 13.053 -2.116 -1.786 1.00 0.00 C ATOM 0 H ALA A 83 15.037 -2.901 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 83 14.645 -0.942 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.273 -1.532 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.301 -2.979 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.696 -2.456 -0.814 1.00 0.00 H new ATOM 1130 N MET A 84 13.869 -0.162 0.520 1.00 0.00 N ATOM 1131 CA MET A 84 13.576 0.961 1.397 1.00 0.00 C ATOM 1132 C MET A 84 14.709 1.975 1.343 1.00 0.00 C ATOM 1133 O MET A 84 14.494 3.173 1.512 1.00 0.00 O ATOM 1134 CB MET A 84 13.360 0.480 2.832 1.00 0.00 C ATOM 1135 CG MET A 84 11.895 0.471 3.244 1.00 0.00 C ATOM 1136 SD MET A 84 11.557 -0.609 4.647 1.00 0.00 S ATOM 1137 CE MET A 84 12.545 -2.038 4.221 1.00 0.00 C ATOM 0 H MET A 84 13.993 -1.054 0.999 1.00 0.00 H new ATOM 0 HA MET A 84 12.659 1.440 1.055 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.767 -0.526 2.937 1.00 0.00 H new ATOM 0 HB3 MET A 84 13.919 1.123 3.512 1.00 0.00 H new ATOM 0 HG2 MET A 84 11.589 1.487 3.494 1.00 0.00 H new ATOM 0 HG3 MET A 84 11.288 0.154 2.396 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.036 -2.944 4.552 1.00 0.00 H new ATOM 0 HE2 MET A 84 12.685 -2.074 3.141 1.00 0.00 H new ATOM 0 HE3 MET A 84 13.516 -1.968 4.711 1.00 0.00 H new ATOM 1147 N GLU A 85 15.917 1.484 1.081 1.00 0.00 N ATOM 1148 CA GLU A 85 17.084 2.343 0.974 1.00 0.00 C ATOM 1149 C GLU A 85 17.095 3.013 -0.395 1.00 0.00 C ATOM 1150 O GLU A 85 17.493 4.170 -0.533 1.00 0.00 O ATOM 1151 CB GLU A 85 18.365 1.523 1.177 1.00 0.00 C ATOM 1152 CG GLU A 85 19.643 2.249 0.781 1.00 0.00 C ATOM 1153 CD GLU A 85 20.200 3.102 1.904 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.188 2.637 3.064 1.00 0.00 O ATOM 1155 OE2 GLU A 85 20.650 4.232 1.625 1.00 0.00 O ATOM 0 H GLU A 85 16.110 0.492 0.939 1.00 0.00 H new ATOM 0 HA GLU A 85 17.041 3.110 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.435 1.234 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.289 0.603 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.393 1.518 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.445 2.880 -0.086 1.00 0.00 H new ATOM 1162 N THR A 86 16.644 2.271 -1.399 1.00 0.00 N ATOM 1163 CA THR A 86 16.585 2.774 -2.762 1.00 0.00 C ATOM 1164 C THR A 86 15.583 3.921 -2.863 1.00 0.00 C ATOM 1165 O THR A 86 15.805 4.889 -3.587 1.00 0.00 O ATOM 1166 CB THR A 86 16.210 1.636 -3.721 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.353 0.871 -4.057 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.578 2.101 -5.017 1.00 0.00 C ATOM 0 H THR A 86 16.312 1.313 -1.291 1.00 0.00 H new ATOM 0 HA THR A 86 17.566 3.157 -3.043 1.00 0.00 H new ATOM 0 HB THR A 86 15.473 1.045 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.609 0.312 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.343 1.237 -5.638 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.662 2.650 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.273 2.751 -5.548 1.00 0.00 H new ATOM 1176 N LEU A 87 14.489 3.815 -2.117 1.00 0.00 N ATOM 1177 CA LEU A 87 13.475 4.858 -2.112 1.00 0.00 C ATOM 1178 C LEU A 87 13.941 6.011 -1.239 1.00 0.00 C ATOM 1179 O LEU A 87 13.669 7.177 -1.521 1.00 0.00 O ATOM 1180 CB LEU A 87 12.126 4.319 -1.624 1.00 0.00 C ATOM 1181 CG LEU A 87 12.131 3.692 -0.231 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.110 4.771 0.844 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.943 2.755 -0.071 1.00 0.00 C ATOM 0 H LEU A 87 14.284 3.020 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 87 13.333 5.214 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.404 5.136 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.773 3.574 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 87 13.048 3.114 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.114 4.304 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.990 5.405 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.211 5.377 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.958 2.315 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.017 3.315 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.001 1.963 -0.818 1.00 0.00 H new ATOM 1195 N ARG A 88 14.662 5.660 -0.180 1.00 0.00 N ATOM 1196 CA ARG A 88 15.201 6.634 0.755 1.00 0.00 C ATOM 1197 C ARG A 88 16.155 7.591 0.048 1.00 0.00 C ATOM 1198 O ARG A 88 16.046 8.809 0.184 1.00 0.00 O ATOM 1199 CB ARG A 88 15.932 5.906 1.881 1.00 0.00 C ATOM 1200 CG ARG A 88 15.410 6.246 3.264 1.00 0.00 C ATOM 1201 CD ARG A 88 16.421 5.897 4.345 1.00 0.00 C ATOM 1202 NE ARG A 88 17.041 7.089 4.921 1.00 0.00 N ATOM 1203 CZ ARG A 88 18.181 7.074 5.606 1.00 0.00 C ATOM 1204 NH1 ARG A 88 18.831 5.933 5.804 1.00 0.00 N ATOM 1205 NH2 ARG A 88 18.675 8.203 6.095 1.00 0.00 N ATOM 0 H ARG A 88 14.888 4.693 0.052 1.00 0.00 H new ATOM 0 HA ARG A 88 14.378 7.216 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.845 4.831 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.993 6.151 1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.176 7.309 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.481 5.706 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.927 5.329 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.194 5.254 3.924 1.00 0.00 H new ATOM 0 HE ARG A 88 16.572 7.985 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.456 5.061 5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.705 5.929 6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.181 9.083 5.946 1.00 0.00 H new ATOM 0 HH22 ARG A 88 19.549 8.192 6.620 1.00 0.00 H new ATOM 1219 N ARG A 89 17.088 7.029 -0.711 1.00 0.00 N ATOM 1220 CA ARG A 89 18.055 7.830 -1.444 1.00 0.00 C ATOM 1221 C ARG A 89 17.373 8.525 -2.618 1.00 0.00 C ATOM 1222 O ARG A 89 17.566 9.719 -2.847 1.00 0.00 O ATOM 1223 CB ARG A 89 19.232 6.946 -1.901 1.00 0.00 C ATOM 1224 CG ARG A 89 19.347 6.737 -3.407 1.00 0.00 C ATOM 1225 CD ARG A 89 18.569 5.510 -3.849 1.00 0.00 C ATOM 1226 NE ARG A 89 19.322 4.697 -4.799 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.472 5.007 -6.085 1.00 0.00 C ATOM 1228 NH1 ARG A 89 18.927 6.113 -6.575 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.169 4.209 -6.883 1.00 0.00 N ATOM 0 H ARG A 89 17.194 6.022 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 89 18.459 8.605 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.160 7.391 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.139 5.971 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 89 18.972 7.617 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.396 6.626 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.317 4.907 -2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.629 5.822 -4.304 1.00 0.00 H new ATOM 0 HE ARG A 89 19.759 3.841 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.390 6.730 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.045 6.346 -7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.590 3.358 -6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.284 4.447 -7.868 1.00 0.00 H new ATOM 1243 N SER A 90 16.565 7.774 -3.352 1.00 0.00 N ATOM 1244 CA SER A 90 15.846 8.317 -4.496 1.00 0.00 C ATOM 1245 C SER A 90 14.922 9.452 -4.065 1.00 0.00 C ATOM 1246 O SER A 90 14.644 10.365 -4.842 1.00 0.00 O ATOM 1247 CB SER A 90 15.040 7.218 -5.185 1.00 0.00 C ATOM 1248 OG SER A 90 13.874 6.901 -4.445 1.00 0.00 O ATOM 0 H SER A 90 16.390 6.785 -3.175 1.00 0.00 H new ATOM 0 HA SER A 90 16.576 8.715 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.761 7.541 -6.188 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.657 6.326 -5.297 1.00 0.00 H new ATOM 0 HG SER A 90 14.013 7.129 -3.502 1.00 0.00 H new ATOM 1254 N MET A 91 14.441 9.389 -2.825 1.00 0.00 N ATOM 1255 CA MET A 91 13.542 10.413 -2.303 1.00 0.00 C ATOM 1256 C MET A 91 14.316 11.569 -1.674 1.00 0.00 C ATOM 1257 O MET A 91 13.844 12.707 -1.660 1.00 0.00 O ATOM 1258 CB MET A 91 12.579 9.804 -1.279 1.00 0.00 C ATOM 1259 CG MET A 91 13.205 9.511 0.078 1.00 0.00 C ATOM 1260 SD MET A 91 11.989 9.017 1.313 1.00 0.00 S ATOM 1261 CE MET A 91 10.735 8.265 0.276 1.00 0.00 C ATOM 0 H MET A 91 14.659 8.642 -2.166 1.00 0.00 H new ATOM 0 HA MET A 91 12.969 10.810 -3.141 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.739 10.485 -1.139 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.174 8.878 -1.686 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.947 8.720 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.734 10.397 0.429 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.930 7.877 0.901 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.334 9.011 -0.410 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.177 7.448 -0.295 1.00 0.00 H new ATOM 1271 N SER A 92 15.498 11.273 -1.145 1.00 0.00 N ATOM 1272 CA SER A 92 16.323 12.293 -0.503 1.00 0.00 C ATOM 1273 C SER A 92 17.612 12.551 -1.281 1.00 0.00 C ATOM 1274 O SER A 92 18.660 12.811 -0.688 1.00 0.00 O ATOM 1275 CB SER A 92 16.657 11.871 0.929 1.00 0.00 C ATOM 1276 OG SER A 92 16.296 12.879 1.857 1.00 0.00 O ATOM 0 H SER A 92 15.907 10.338 -1.147 1.00 0.00 H new ATOM 0 HA SER A 92 15.750 13.220 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.133 10.946 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.724 11.663 1.010 1.00 0.00 H new ATOM 0 HG SER A 92 16.519 12.583 2.764 1.00 0.00 H new ATOM 1282 N THR A 93 17.538 12.479 -2.606 1.00 0.00 N ATOM 1283 CA THR A 93 18.715 12.710 -3.440 1.00 0.00 C ATOM 1284 C THR A 93 18.358 12.909 -4.918 1.00 0.00 C ATOM 1285 O THR A 93 19.121 13.521 -5.664 1.00 0.00 O ATOM 1286 CB THR A 93 19.697 11.545 -3.263 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.928 12.006 -2.735 1.00 0.00 O ATOM 1288 CG2 THR A 93 20.005 10.776 -4.532 1.00 0.00 C ATOM 0 H THR A 93 16.685 12.265 -3.123 1.00 0.00 H new ATOM 0 HA THR A 93 19.184 13.638 -3.113 1.00 0.00 H new ATOM 0 HB THR A 93 19.188 10.865 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.541 11.249 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.707 9.973 -4.309 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.084 10.353 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.446 11.449 -5.267 1.00 0.00 H new ATOM 1296 N GLU A 94 17.212 12.388 -5.345 1.00 0.00 N ATOM 1297 CA GLU A 94 16.792 12.525 -6.735 1.00 0.00 C ATOM 1298 C GLU A 94 15.417 13.173 -6.833 1.00 0.00 C ATOM 1299 O GLU A 94 15.257 14.230 -7.441 1.00 0.00 O ATOM 1300 CB GLU A 94 16.785 11.162 -7.422 1.00 0.00 C ATOM 1301 CG GLU A 94 18.099 10.416 -7.282 1.00 0.00 C ATOM 1302 CD GLU A 94 18.400 9.532 -8.477 1.00 0.00 C ATOM 1303 OE1 GLU A 94 18.430 10.057 -9.610 1.00 0.00 O ATOM 1304 OE2 GLU A 94 18.605 8.317 -8.281 1.00 0.00 O ATOM 0 H GLU A 94 16.562 11.871 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 94 17.507 13.173 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.983 10.555 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.562 11.297 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.908 11.135 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.070 9.804 -6.380 1.00 0.00 H new ATOM 1311 N GLY A 95 14.429 12.533 -6.225 1.00 0.00 N ATOM 1312 CA GLY A 95 13.077 13.061 -6.247 1.00 0.00 C ATOM 1313 C GLY A 95 12.960 14.361 -5.477 1.00 0.00 C ATOM 1314 O GLY A 95 12.079 15.176 -5.751 1.00 0.00 O ATOM 0 H GLY A 95 14.538 11.656 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.768 13.223 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.394 12.326 -5.822 1.00 0.00 H new ATOM 1318 N ASN A 96 13.854 14.554 -4.516 1.00 0.00 N ATOM 1319 CA ASN A 96 13.859 15.763 -3.705 1.00 0.00 C ATOM 1320 C ASN A 96 14.490 16.916 -4.482 1.00 0.00 C ATOM 1321 O ASN A 96 14.069 18.067 -4.361 1.00 0.00 O ATOM 1322 CB ASN A 96 14.613 15.505 -2.393 1.00 0.00 C ATOM 1323 CG ASN A 96 15.180 16.765 -1.759 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.271 16.752 -1.193 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.435 17.859 -1.851 1.00 0.00 N ATOM 0 H ASN A 96 14.587 13.886 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 96 12.833 16.040 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.939 15.024 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.427 14.806 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.762 18.735 -1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.535 17.824 -2.330 1.00 0.00 H new ATOM 1332 N LYS A 97 15.499 16.594 -5.284 1.00 0.00 N ATOM 1333 CA LYS A 97 16.196 17.593 -6.091 1.00 0.00 C ATOM 1334 C LYS A 97 15.206 18.520 -6.787 1.00 0.00 C ATOM 1335 O LYS A 97 15.403 19.735 -6.836 1.00 0.00 O ATOM 1336 CB LYS A 97 17.084 16.905 -7.129 1.00 0.00 C ATOM 1337 CG LYS A 97 17.949 15.797 -6.548 1.00 0.00 C ATOM 1338 CD LYS A 97 18.723 16.278 -5.331 1.00 0.00 C ATOM 1339 CE LYS A 97 19.860 17.196 -5.735 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.575 17.752 -4.553 1.00 0.00 N ATOM 0 H LYS A 97 15.855 15.644 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 97 16.818 18.192 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.455 16.489 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.728 17.650 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.321 14.951 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.646 15.441 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.051 16.804 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.119 15.421 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.565 16.647 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.468 18.014 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.344 18.374 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.909 18.298 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.972 16.973 -3.989 1.00 0.00 H new ATOM 1354 N ARG A 98 14.139 17.938 -7.315 1.00 0.00 N ATOM 1355 CA ARG A 98 13.109 18.708 -7.998 1.00 0.00 C ATOM 1356 C ARG A 98 12.071 19.217 -7.004 1.00 0.00 C ATOM 1357 O ARG A 98 11.445 20.255 -7.222 1.00 0.00 O ATOM 1358 CB ARG A 98 12.433 17.860 -9.077 1.00 0.00 C ATOM 1359 CG ARG A 98 11.851 16.562 -8.548 1.00 0.00 C ATOM 1360 CD ARG A 98 12.531 15.352 -9.166 1.00 0.00 C ATOM 1361 NE ARG A 98 11.589 14.264 -9.421 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.954 13.005 -9.648 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.239 12.670 -9.652 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.033 12.077 -9.871 1.00 0.00 N ATOM 0 H ARG A 98 13.964 16.934 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 98 13.584 19.566 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.638 18.443 -9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.159 17.632 -9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.961 16.528 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.783 16.528 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.010 15.644 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.319 15.000 -8.501 1.00 0.00 H new ATOM 0 HE ARG A 98 10.593 14.483 -9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.952 13.379 -9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.513 11.703 -9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.045 12.329 -9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.313 11.112 -10.045 1.00 0.00 H new ATOM 1378 N GLY A 99 11.898 18.483 -5.906 1.00 0.00 N ATOM 1379 CA GLY A 99 10.939 18.881 -4.890 1.00 0.00 C ATOM 1380 C GLY A 99 9.884 17.823 -4.626 1.00 0.00 C ATOM 1381 O GLY A 99 9.077 17.968 -3.709 1.00 0.00 O ATOM 0 H GLY A 99 12.404 17.621 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.469 19.098 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.450 19.804 -5.201 1.00 0.00 H new ATOM 1385 N MET A 100 9.884 16.761 -5.427 1.00 0.00 N ATOM 1386 CA MET A 100 8.914 15.687 -5.269 1.00 0.00 C ATOM 1387 C MET A 100 9.412 14.394 -5.902 1.00 0.00 C ATOM 1388 O MET A 100 10.052 14.408 -6.954 1.00 0.00 O ATOM 1389 CB MET A 100 7.585 16.088 -5.899 1.00 0.00 C ATOM 1390 CG MET A 100 7.683 16.342 -7.393 1.00 0.00 C ATOM 1391 SD MET A 100 6.572 15.306 -8.359 1.00 0.00 S ATOM 1392 CE MET A 100 7.513 13.784 -8.428 1.00 0.00 C ATOM 0 H MET A 100 10.545 16.623 -6.191 1.00 0.00 H new ATOM 0 HA MET A 100 8.776 15.514 -4.202 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.853 15.301 -5.718 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.214 16.988 -5.408 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.459 17.390 -7.593 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.708 16.167 -7.719 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.047 13.100 -9.137 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.532 14.001 -8.748 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.533 13.324 -7.440 1.00 0.00 H new ATOM 1402 N ILE A 101 9.117 13.276 -5.249 1.00 0.00 N ATOM 1403 CA ILE A 101 9.532 11.969 -5.736 1.00 0.00 C ATOM 1404 C ILE A 101 8.333 11.167 -6.242 1.00 0.00 C ATOM 1405 O ILE A 101 7.236 11.254 -5.692 1.00 0.00 O ATOM 1406 CB ILE A 101 10.286 11.171 -4.639 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.652 9.797 -4.397 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.341 11.960 -3.339 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.349 8.992 -3.325 1.00 0.00 C ATOM 0 H ILE A 101 8.589 13.251 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 101 10.216 12.134 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 101 11.302 11.011 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.607 9.932 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.662 9.232 -5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.874 11.381 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.861 12.903 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.327 12.162 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.847 8.032 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.387 8.826 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.316 9.537 -2.382 1.00 0.00 H new ATOM 1421 N GLN A 102 8.558 10.382 -7.291 1.00 0.00 N ATOM 1422 CA GLN A 102 7.507 9.556 -7.871 1.00 0.00 C ATOM 1423 C GLN A 102 7.417 8.223 -7.132 1.00 0.00 C ATOM 1424 O GLN A 102 8.435 7.646 -6.756 1.00 0.00 O ATOM 1425 CB GLN A 102 7.785 9.323 -9.357 1.00 0.00 C ATOM 1426 CG GLN A 102 6.632 8.676 -10.103 1.00 0.00 C ATOM 1427 CD GLN A 102 6.574 7.177 -9.897 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.534 6.629 -9.536 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.699 6.503 -10.126 1.00 0.00 N ATOM 0 H GLN A 102 9.462 10.301 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 102 6.553 10.074 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.019 10.278 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.669 8.693 -9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.694 9.121 -9.771 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.727 8.889 -11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.539 6.999 -10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.721 5.491 -10.003 1.00 0.00 H new ATOM 1438 N LEU A 103 6.197 7.742 -6.911 1.00 0.00 N ATOM 1439 CA LEU A 103 5.999 6.483 -6.200 1.00 0.00 C ATOM 1440 C LEU A 103 5.057 5.551 -6.949 1.00 0.00 C ATOM 1441 O LEU A 103 4.038 5.978 -7.486 1.00 0.00 O ATOM 1442 CB LEU A 103 5.435 6.739 -4.799 1.00 0.00 C ATOM 1443 CG LEU A 103 6.362 7.478 -3.835 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.772 6.909 -3.896 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.365 8.966 -4.143 1.00 0.00 C ATOM 0 H LEU A 103 5.337 8.201 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 103 6.975 6.004 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.513 7.312 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.168 5.780 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 103 5.988 7.337 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.413 7.451 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.751 5.854 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.163 7.014 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.030 9.480 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.713 9.126 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.355 9.361 -4.038 1.00 0.00 H new ATOM 1457 N ILE A 104 5.395 4.269 -6.947 1.00 0.00 N ATOM 1458 CA ILE A 104 4.571 3.256 -7.589 1.00 0.00 C ATOM 1459 C ILE A 104 4.302 2.125 -6.613 1.00 0.00 C ATOM 1460 O ILE A 104 5.215 1.405 -6.213 1.00 0.00 O ATOM 1461 CB ILE A 104 5.236 2.693 -8.857 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.568 3.834 -9.816 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.327 1.675 -9.532 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.357 3.396 -11.029 1.00 0.00 C ATOM 0 H ILE A 104 6.239 3.905 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 104 3.635 3.729 -7.885 1.00 0.00 H new ATOM 0 HB ILE A 104 6.160 2.187 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.640 4.301 -10.146 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.135 4.595 -9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.815 1.288 -10.427 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.127 0.853 -8.844 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.388 2.153 -9.809 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.556 4.259 -11.665 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.301 2.955 -10.709 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.783 2.658 -11.589 1.00 0.00 H new ATOM 1476 N VAL A 105 3.047 1.986 -6.214 1.00 0.00 N ATOM 1477 CA VAL A 105 2.667 0.954 -5.261 1.00 0.00 C ATOM 1478 C VAL A 105 1.591 0.033 -5.822 1.00 0.00 C ATOM 1479 O VAL A 105 1.098 0.234 -6.931 1.00 0.00 O ATOM 1480 CB VAL A 105 2.161 1.573 -3.941 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.233 2.454 -3.320 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.881 2.365 -4.174 1.00 0.00 C ATOM 0 H VAL A 105 2.276 2.573 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 105 3.564 0.367 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 105 1.938 0.764 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.859 2.882 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.120 1.856 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.490 3.257 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.541 2.793 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.074 3.166 -4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.111 1.703 -4.571 1.00 0.00 H new ATOM 1492 N ALA A 106 1.233 -0.976 -5.037 1.00 0.00 N ATOM 1493 CA ALA A 106 0.213 -1.933 -5.434 1.00 0.00 C ATOM 1494 C ALA A 106 -0.553 -2.431 -4.216 1.00 0.00 C ATOM 1495 O ALA A 106 0.024 -3.048 -3.318 1.00 0.00 O ATOM 1496 CB ALA A 106 0.842 -3.098 -6.185 1.00 0.00 C ATOM 0 H ALA A 106 1.638 -1.151 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.490 -1.434 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.065 -3.806 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.346 -2.726 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.566 -3.598 -5.541 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.850 -2.157 -4.183 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.688 -2.579 -3.068 1.00 0.00 C ATOM 1504 C ARG A 107 -3.571 -3.753 -3.470 1.00 0.00 C ATOM 1505 O ARG A 107 -4.069 -3.814 -4.593 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.543 -1.411 -2.572 1.00 0.00 C ATOM 1507 CG ARG A 107 -4.488 -1.777 -1.437 1.00 0.00 C ATOM 1508 CD ARG A 107 -5.873 -1.189 -1.652 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.078 0.027 -0.870 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.973 0.966 -1.177 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.747 0.832 -2.247 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.095 2.040 -0.408 1.00 0.00 N ATOM 0 H ARG A 107 -2.344 -1.645 -4.914 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.038 -2.904 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.885 -0.608 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.126 -1.021 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.561 -2.862 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.081 -1.416 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.013 -0.968 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.627 -1.927 -1.379 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.502 0.166 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.659 0.007 -2.840 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.430 1.554 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.504 2.146 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.779 2.759 -0.642 1.00 0.00 H new ATOM 1683 N ILE B 10 10.456 -1.370 10.990 1.00 0.00 N ATOM 1684 CA ILE B 10 9.800 -0.297 10.255 1.00 0.00 C ATOM 1685 C ILE B 10 10.764 0.844 9.971 1.00 0.00 C ATOM 1686 O ILE B 10 11.044 1.673 10.838 1.00 0.00 O ATOM 1687 CB ILE B 10 8.572 0.256 11.004 1.00 0.00 C ATOM 1688 CG1 ILE B 10 7.916 -0.840 11.850 1.00 0.00 C ATOM 1689 CG2 ILE B 10 7.578 0.838 10.013 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.129 -1.849 11.040 1.00 0.00 C ATOM 0 HA ILE B 10 9.464 -0.733 9.314 1.00 0.00 H new ATOM 0 HB ILE B 10 8.900 1.049 11.676 1.00 0.00 H new ATOM 0 HG12 ILE B 10 8.689 -1.363 12.413 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.252 -0.375 12.578 1.00 0.00 H new ATOM 0 HG21 ILE B 10 6.713 1.227 10.551 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.051 1.646 9.455 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.256 0.060 9.321 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.695 -2.593 11.708 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.333 -1.339 10.498 1.00 0.00 H new ATOM 0 HD13 ILE B 10 7.793 -2.343 10.330 1.00 0.00 H new ATOM 1702 N THR B 11 11.266 0.875 8.748 1.00 0.00 N ATOM 1703 CA THR B 11 12.203 1.908 8.324 1.00 0.00 C ATOM 1704 C THR B 11 11.467 3.203 7.995 1.00 0.00 C ATOM 1705 O THR B 11 10.659 3.251 7.068 1.00 0.00 O ATOM 1706 CB THR B 11 12.991 1.435 7.102 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.677 0.228 7.384 1.00 0.00 O ATOM 1708 CG2 THR B 11 14.011 2.438 6.617 1.00 0.00 C ATOM 0 H THR B 11 11.040 0.192 8.025 1.00 0.00 H new ATOM 0 HA THR B 11 12.894 2.100 9.145 1.00 0.00 H new ATOM 0 HB THR B 11 12.246 1.295 6.319 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.174 -0.059 6.590 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.532 2.036 5.748 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.508 3.365 6.341 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.730 2.638 7.411 1.00 0.00 H new ATOM 1716 N LYS B 12 11.751 4.251 8.759 1.00 0.00 N ATOM 1717 CA LYS B 12 11.115 5.544 8.545 1.00 0.00 C ATOM 1718 C LYS B 12 11.767 6.284 7.382 1.00 0.00 C ATOM 1719 O LYS B 12 12.988 6.431 7.332 1.00 0.00 O ATOM 1720 CB LYS B 12 11.192 6.395 9.814 1.00 0.00 C ATOM 1721 CG LYS B 12 10.078 7.421 9.923 1.00 0.00 C ATOM 1722 CD LYS B 12 10.582 8.733 10.501 1.00 0.00 C ATOM 1723 CE LYS B 12 10.860 8.613 11.991 1.00 0.00 C ATOM 1724 NZ LYS B 12 10.528 9.867 12.720 1.00 0.00 N ATOM 0 H LYS B 12 12.417 4.230 9.531 1.00 0.00 H new ATOM 0 HA LYS B 12 10.068 5.368 8.300 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.158 5.740 10.684 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.153 6.909 9.840 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.648 7.598 8.937 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.280 7.028 10.553 1.00 0.00 H new ATOM 0 HD2 LYS B 12 11.492 9.035 9.983 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.843 9.516 10.329 1.00 0.00 H new ATOM 0 HE2 LYS B 12 10.279 7.788 12.404 1.00 0.00 H new ATOM 0 HE3 LYS B 12 11.911 8.371 12.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 10.732 9.744 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 11.101 10.649 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 9.519 10.085 12.594 1.00 0.00 H new ATOM 1738 N VAL B 13 10.943 6.749 6.450 1.00 0.00 N ATOM 1739 CA VAL B 13 11.437 7.474 5.286 1.00 0.00 C ATOM 1740 C VAL B 13 10.628 8.746 5.046 1.00 0.00 C ATOM 1741 O VAL B 13 9.830 9.115 5.933 1.00 0.00 O ATOM 1742 CB VAL B 13 11.393 6.599 4.017 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.190 5.320 4.224 1.00 0.00 C ATOM 1744 CG2 VAL B 13 9.954 6.282 3.626 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.800 9.359 3.972 1.00 0.00 O ATOM 0 H VAL B 13 9.930 6.637 6.478 1.00 0.00 H new ATOM 0 HA VAL B 13 12.473 7.741 5.496 1.00 0.00 H new ATOM 0 HB VAL B 13 11.848 7.159 3.200 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.148 4.715 3.319 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.228 5.570 4.446 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.766 4.758 5.056 1.00 0.00 H new ATOM 0 HG21 VAL B 13 9.949 5.664 2.728 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.466 5.745 4.439 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.417 7.210 3.431 1.00 0.00 H new